6-(5H-Indazol-2-Ium-5-Id-4-Yl)-1-Methyl-N-(3-Methylsulfonylpropyl)Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C17H20N7O2S
IUPAC Name 6-(5h-indazol-2-ium-5-id-4-yl)-1-methyl-n-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 386.451 g·mol−1
Heat of Formation 244.3 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 431.12 Å 3
Surface Area 387.68 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey VQKQXXPHRIPAPC-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N